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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

ANS MiNES 2023 Poster

The dynamic mechanical properties of four varieties of high purity graphite as well as the depth of penetration (DoP) of a small-scale shaped charge into these grades was experimentally determined. The grades chosen were PCEA, NBG-18, and NBG-25. These grades provide a wide range of physical properties: in density from 1.80 – 1.85 g/cc, in maximum particle size from 10s to 1000s of µm, and in porosity from 18% to 20%. The quasistatic and dynamic compressive strengths of each grade were determined and correlated to their physical properties. The split Hopkinson pressure bar experiments showed both the dynamic strength and dominant shear failure mechanisms. A small scale shaped charge was used to compare the resistance of graphite to hypervelocity jet impacts: the Teledyne RP-4. The RP-4 has a 1.01” outer diameter and 3.44 g of RDX with an RP-80 booster (86 mg PETN + 123 mg RDX). A select number of samples were analyzed using X-Ray Computed Tomography (XCT), allowing for the full characterization of the undisturbed wound channel. A selection of other samples were physically sectioned and wound channels mapped from the sections. In addition to DoP, the wound geometry was characterized in terms of total volume and diameter at different depths. The wound channel characteristics for each grade were correlated to the compressive strengths and physical properties. In several of the test samples, the wound channel diameter was smaller than the diameter of the shaped charge slug just behind where the slug had penetrated the sample. These results indicated that the wound geometry was dependent on the compressive hysteresis behavior of graphite.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhancing Charge Injection in Polyoxometalate-based Dye-Sensitized Solar Cells

A series of 3d-transition metal containing polyoxometalates have been synthesized. These materials were successfully characterized using a variety of spectroscopic and electrochemical techniques. A selected polyoxometalate was sensitized with a porphyrin-based dye to permit for more efficient solar spectrum utilization.

14 SOLAR ENERGY↗
DOE OSTI2025

Using chiral-induced spin selectivity as a tool to improve materials and processes for energy science

Studies relating to electrical energy conversion, storage, and generation, date back to the 19th century, however only in recent years have scientists begun to investigate the impact of the electron spin on these processes. Control and manipulation of the electron spin, an intrinsically quantum property of matter, opens new approaches to addressing energy science challenges. Furthermore, the chiral-induced spin selectivity (CISS) effect is enabling for this effort, because of the control over the transport and generation of both pure spin currents and spin-polarized charge currents. In this review article, we begin with a brief introduction on design strategies for the implementation of CISS in materials and then describe recent studies that demonstrate how CISS can be used to improve electrocatalysis and spintronics. Lastly, we conclude with forward-looking thoughts on the next steps for leveraging CISS in energy science.

Batteries↗
DOE OSTI2025

Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics

Ion sorption extent and mechanism depend in part on the mineral surface termination, which can be highly complex. Variations in surface functional groups, particularly with defect density and surface roughness, influence mineral reactivity towards solutes. In this work, we investigate the adsorption of a rubidium cation (Rb + ) at pristine and defect quartz (101) surface sites using well-tempered metadynamics, based on simulations with the quantum chemical density-functional tight-binding (DFTB) method. We compare the relative energetics of Rb + adsorption across selected sites for each surface, with nanosecond-level sampling, highlighting similarities between vicinal and geminal silanol sites. We find that the positive Rb + partial atomic charge can increase by as much as 0.5e as it approaches the surface, with implications for modulation of ion adsorption strength and extent at the quartz (101) surface with surface vacancies, silanol coverage, and charge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ultrafast bipolar conductivity driven by intense single-cycle terahertz pulses in a topological insulator Bi 2 Se 3

We present the measurement of ultrafast terahertz (THz) conductivity of a 50 nm thick topological insulator Bi 2 Se 3 at low temperature 5 K by using a THz pump and THz probe spectroscopy scheme. Here, the THz conductivity driven by a single-cycle intense THz pump exhibits a bipolar lineshape and frequency-dependent relaxation dynamics due to the separated surface and bulk charge carriers with distinctly different scattering rates and relaxation times. We also demonstrate THz pump field-dependent excitation of the surface and bulk spectral weights, which suggests one of the optimal THz excitation conditions for generating the most charge carriers from the topology-protected surface state relative to the bulk. This also allows THz control of surface and bulk transport channels in a selective way.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Bio‐Imaging quorum sensing signal molecules in a soil‐mimic gel

Rhizosphere, the narrow region surrounding plant roots directly influenced by root exudates and the root associated microbiome, plays an important role in plant productivity and the rhizosphere is well known for stimulating microbial metabolic activities. How microbial communities interact to form stable, metabolically interconnected functional communities is an area of intense interest. The question remains on how microbially produced secreted molecules that function as intercellular communication signals shape the structure and function of microbial communities. Our goal is to detect and quantify signal molecules produced by microbes or plants in the root‐soil environment, spatially and temporarily. As a proof‐of‐concept, we are imaging diffusible extracellular microbial metabolites involved in a bacteria‐bacteria communication process called quorum‐sensing. Quorum‐sensing relies on the accumulation of high concentrations of signal molecules in the environment to control bacterial gene expression, influencing rhizosphere colonization and plant health. Local concentration of quorum sensing molecules are determined using aptamer based sensors. Aptamers that can specifically bind the desired signal molecules are selected through SELEX and immobilized on the surface of nano‐porous membranes. Binding of the signal molecules and aptamer covered surface results in changes in surface charge distribution and steric hinderance and thus modifying the transmembrane ionic transport. Changes in transmembrane impedance can be measured through electrochemical impedance spectroscopy methods to monitor local concentrations of signal molecules. Sensor responses were determined for different concentrations of signal molecules and results showed detection of C4‐HSL in a soil‐mimic solution with K D of 10 nM. We demonstrate that the quorum‐sensing signal molecule C4‐homoserine lactone and (C4‐HSL) can rapidly diffuse in a soil‐mimic gel, providing evidence for our use of a soil‐mimic for further aptasensor development and validation. The sensors were then inserted into soil mimic gel for monitoring C4‐HSL diffusion and the resulted impedance changes were used to determine the C4‐HSL concentration at different positions in the gel. Measurements of local C4‐HSL concentrations variation and numerical solution of diffusion equation were used to create 4D images of C4‐HSL molecule diffusion in the soil‐mimic gel.

Jiang, Nianyu↗
DOE OSTI2020

Topological nanospaser

We propose a nanospaser made of an achiral plasmonic–metal nanodisk and a two-dimensional chiral gain medium – a monolayer nanoflake of a transition-metal dichalcogenide (TMDC). When one valley of the TMDC is selectively pumped (e.g. by a circular-polarized radiation), the spaser (surface plasmon amplification by stimulated emission of radiation) generates a mode carrying a topological chiral charge that matches that of the gain valley. There is another, chirally mismatched, time-reversed mode with exactly the same frequency but the opposite topological charge; it is actively suppressed by the gain saturation and never generates, leading to a strong topological protection for the generating matched mode. This topological spaser is promising for use in nano-optics and nanospectroscopy in the near field especially in applications to biomolecules that are typically chiral. Another potential application is a chiral nanolabel for biomedical applications emitting in the far field an intense circularly polarized coherent radiation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Exploration of the Electronic and Catalytic Properties of [Co 5 MS 8 (PEt 3 ) 5 ] 1+ Nanoclusters: A Computational Study

Recent studies have demonstrated the relative stability of undercoordinated hexanuclear cobalt sulfide nanoclusters (NCs) with different charge states. Considering that these small metal NCs have atomically precise structures and high reactivity due to the open shell of the transition metals, and provide selectivity toward ligand loss, they are a vital model for catalysis. In this paper, the electronic structures of these NCs are investigated. These NCs are then used as the reference state to analyze the catalytic properties with respect to hydrogen evolution reaction (HER) and CO 2 reduction (CO 2 R). Further, to understand the effect of heteroatom incorporation, the geometry and reactivity of ten different metal dopants are analyzed. This work shows that the type of metal incorporation greatly affects the electronic structure and formation energies for ligand binding and catalysis. Particularly, the d-orbital occupancy in the cobalt atoms remains largely unchanged, while the heteroatom greatly influences the reactivity of the undercoordinated NCs. Most notably, this work highlights that transition metals in [Co 5 MS 8 (PEt 3 ) 5 ] 1+ NCs would competitively prefer electrochemical adsorption of H over COOH, while the main group metals prefer COOH adsorption.

catalysis↗
NASA NTRS1992

Sodium sulfur batteries for space applications

In 1986, Eagle-Picher Industries was selected by the Air Force to develop sodium sulfur cells for satellite applications. Specifically, the development program was geared toward low earth orbit goals requiring high charge and/or discharge rates. A number of improvements have been made on the cell level and a transition to a complete space battery was initiated at Eagle-Picher. The results of six months of testing a 250 watt/hour sodium sulfur space battery look very promising. With over 1000 LEO cycles conducted on this first battery, the next generation battery is being designed. This next design will focus on achieving greater energy densities associated with the sodium sulfur chemistry.

Degruson, James A.↗
NASA NTRS2001

Thermal Characterization of Epoxy Adhesive by Hotfire Testing

This paper describes subscale solid-rocket motor hot-fire testing of epoxy adhesives in flame surface bondlines to evaluate heat-affected depth, char depth and ablation rate. Hot-fire testing is part of an adhesive down-selection program on the Space Shuttle Solid Rocket Motor Nozzle to provide additional confidence in the down-selected adhesives. The current nozzle structural adhesive bond system is being replaced due to obsolescence. Prior to hot-fire testing, adhesives were tested for chemical, physical and mechanical properties, which resulted in the selection of two potential replacement adhesives, Resin Technology Group's TIGA 321 and 3M's EC2615XLW. Hot-fire testing consisted of four forty-pound charge (FPC) motors fabricated in configurations that would allow side-by-side comparison testing of the candidate replacement adhesives with the current RSRM adhesives. Results of the FPC motor testing show that: 1) the phenolic char depths on radial bondlines is approximately the same and vary depending on the position in the blast tube regardless of which adhesive was used, 2) the replacement candidate adhesive char depths are equivalent to the char depths of the current adhesives, 3) the heat-affected depths of the candidate and current adhesives are equivalent, and 4) the ablation rates for both replacement adhesives were equivalent to the current adhesives.

Spomer, Ken A.↗
NASA NTRS2001

Analysis of fractal dimensions of rat bones from film and digital images

OBJECTIVES: (1) To compare the effect of two different intra-oral image receptors on estimates of fractal dimension; and (2) to determine the variations in fractal dimensions between the femur, tibia and humerus of the rat and between their proximal, middle and distal regions. METHODS: The left femur, tibia and humerus from 24 4-6-month-old Sprague-Dawley rats were radiographed using intra-oral film and a charge-coupled device (CCD). Films were digitized at a pixel density comparable to the CCD using a flat-bed scanner. Square regions of interest were selected from proximal, middle, and distal regions of each bone. Fractal dimensions were estimated from the slope of regression lines fitted to plots of log power against log spatial frequency. RESULTS: The fractal dimensions estimates from digitized films were significantly greater than those produced from the CCD (P=0.0008). Estimated fractal dimensions of three types of bone were not significantly different (P=0.0544); however, the three regions of bones were significantly different (P=0.0239). The fractal dimensions estimated from radiographs of the proximal and distal regions of the bones were lower than comparable estimates obtained from the middle region. CONCLUSIONS: Different types of image receptors significantly affect estimates of fractal dimension. There was no difference in the fractal dimensions of the different bones but the three regions differed significantly.

NASA Discipline Musculoskeletal↗
NASA NTRS2009

Application of carbon nanotube hold-off voltage for determining gas composition

Method and system for determining chemical composition of a single-component or multiple-component gas, using a discharge holdoff mechanism. A voltage difference V between two spaced apart electrodes is brought to a selected value and held, the holdoff time interval .DELTA.t(V;ho) required before gas discharge occurs is measured, and the associated electrical current or cumulative electrical charge is measured. As the voltage difference V increases, the time interval length .DELTA.t(V;ho) decreases monotonically. Particular voltage values, V.sub..infin. and V.sub.0, correspond to initial appearance of discharge (.DELTA.t.apprxeq..infin.) and prompt discharge (.DELTA.t.apprxeq.0). The values V.sub..infin. and V.sub.0 and the rate of decrease of .DELTA.t(V;ho) and/or the rate of increase of current or cumulative charge with increasing V are characteristic of one or more gas components present.

Schipper, John F.↗
NASA NTRS2017

Electric Potential and Electric Field Imaging with Dynamic Applications & Extensions

The technology and methods for remote quantitative imaging of electrostatic potentials and electrostatic fields in and around objects and in free space is presented. Electric field imaging (EFI) technology may be applied to characterize intrinsic or existing electric potentials and electric fields, or an externally generated electrostatic field made be used for volumes to be inspected with EFI. The baseline sensor technology (e-Sensor) and its construction, optional electric field generation (quasi-static generator), and current e- Sensor enhancements (ephemeral e-Sensor) are discussed. Critical design elements of current linear and real-time two-dimensional (2D) measurement systems are highlighted, and the development of a three dimensional (3D) EFI system is presented. Demonstrations for structural, electronic, human, and memory applications are shown. Recent work demonstrates that phonons may be used to create and annihilate electric dipoles within structures. Phonon induced dipoles are ephemeral and their polarization, strength, and location may be quantitatively characterized by EFI providing a new subsurface Phonon-EFI imaging technology. Results from real-time imaging of combustion and ion flow, and their measurement complications, will be discussed. Extensions to environment, Space and subterranean applications will be presented, and initial results for quantitative characterizing material properties are shown. A wearable EFI system has been developed by using fundamental EFI concepts. These new EFI capabilities are demonstrated to characterize electric charge distribution creating a new field of study embracing areas of interest including electrostatic discharge (ESD) mitigation, manufacturing quality control, crime scene forensics, design and materials selection for advanced sensors, combustion science, on-orbit space potential, container inspection, remote characterization of electronic circuits and level of activation, dielectric morphology of structures, tether integrity, organic molecular memory, atmospheric science, weather prediction, earth quake prediction, and medical diagnostic and treatment efficacy applications such as cardiac polarization wave propagation and electromyography imaging.

Generazio, Ed↗
DOE OSTI2021

Toward alcohol synthesis from CO hydrogenation on Cu(111)-supported MoS 2 – predictions from DFT+KMC

In the quest for cheap and efficient catalysts for alcohol synthesis from syngas, a material of interest is single-layer MoS2 owing to its low cost, abundancy, and flexible structure. Because of the inertness of its basal plane, however, it is essential to find ways that make it catalytically active. Herein, by means of density functional theory based calculations of reaction pathways and activation energy barriers and accompanying kinetic Monte Carlo simulations, we show that while S vacancy row structures activate the MoS 2 basal plane, further enhancement of chemical activity and selectivity can be achieved by interfacing the MoS 2 layer with a metallic support. When defect-laden MoS2 is grown on Cu(111), there is not only an increase in the active region (surface area of active sites) but also charge transfer from Cu to MoS 2 , resulting in a shift of the Fermi level such that the frontier states (d orbitals of the exposed Mo atoms) appear close to it, making the MoS 2 /Cu(111) system ready for catalytic activity. Finally, our calculated thermodynamics of reaction pathways lead to the conclusion that the Cu(111) substrate promotes both methanol and ethanol as the products, while kinetic Monte Carlo simulations suggest a high selectivity toward the formation of ethanol.

2D materials↗
DOE OSTI2024

Decoupling excitons from high-frequency vibrations in organic molecules

The coupling of excitons in π-conjugated molecules to high-frequency vibrational modes, particularly carbon–carbon stretch modes (1,000–1,600 cm -1 ) has been thought to be unavoidable. These high-frequency modes accelerate non-radiative losses and limit the performance of light-emitting diodes, fluorescent biomarkers and photovoltaic devices. Here, by combining broadband impulsive vibrational spectroscopy, first-principles modelling and synthetic chemistry, we explore exciton–vibration coupling in a range of π-conjugated molecules. We uncover two design rules that decouple excitons from high-frequency vibrations. First, when the exciton wavefunction has a substantial charge-transfer character with spatially disjoint electron and hole densities, we find that high-frequency modes can be localized to either the donor or acceptor moiety, so that they do not significantly perturb the exciton energy or its spatial distribution. Second, it is possible to select materials such that the participating molecular orbitals have a symmetry-imposed non-bonding character and are, thus, decoupled from the high-frequency vibrational modes that modulate the π-bond order. We exemplify both these design rules by creating a series of spin radical systems that have very efficient near-infrared emission (680–800 nm) from charge-transfer excitons. We show that these systems have substantial coupling to vibrational modes only below 250 cm -1 , frequencies that are too low to allow fast non-radiative decay. This enables non-radiative decay rates to be suppressed by nearly two orders of magnitude in comparison to π-conjugated molecules with similar bandgaps. Our results show that losses due to coupling to high-frequency modes need not be a fundamental property of these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Metal Oxide vs Organic Semiconductor Charge Extraction Layers for Halide Perovskite Indoor Photovoltaics

Halide perovskite indoor photovoltaics (PVs) are highly promising to autonomously power the billions of microelectronic sensors in the emerging and disruptive technology of the Internet of Things (IoT). However, how the wide range of different types of hole extraction layers (HELs) impacts the indoor light harvesting of perovskite solar cells is still elusive, which hinders the material selection and industrial–scale fabrication of indoor perovskite photovoltaics. In the present study, new insights are provided regarding the judicial selection of HELs at the buried interface of halide perovskite indoor photovoltaics. This study unravels the detrimental and severe light–soaking effect of metal oxide transport layer–based PV devices under the indoor lighting effect for the first time, which then necessitates the interface passivation/engineering for their reliant performance. This is not a stringent criterion under 1 sun illumination. By systematically investigating the charge carrier dynamics and sequence of measurements from dark, light–soaked, interlayer–passivated device, the bulk and interface defects are decoupled and reveal the gradual defect passivation from shallow to deep level traps. Thus, the present study puts forward a useful design strategy to overcome the deleterious effect of metal oxide HELs and employ them in halide perovskite indoor PVs.

14 SOLAR ENERGY↗
DOE OSTI2023

Search for pair production of vector-like quarks in leptonic final states in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search is presented for vector-like T and B quark-antiquark pairs produced in proton-proton collisions at a center-of-mass energy of 13 TeV. Data were collected by the CMS experiment at the CERN LHC in 2016–2018, with an integrated luminosity of 138 fb$^{−1}$. Events are separated into single-lepton, same-sign charge dilepton, and multi-lepton channels. In the analysis of the single-lepton channel a multilayer neural network and jet identification techniques are employed to select signal events, while the same-sign dilepton and multilepton channels rely on the high-energy signature of the signal to distinguish it from standard model backgrounds. The data are consistent with standard model background predictions, and the production of vector-like quark pairs is excluded at 95% confidence level for T quark masses up to 1.54 TeV and B quark masses up to 1.56 TeV, depending on the branching fractions assumed, with maximal sensitivity to decay modes that include multiple top quarks. The limits obtained in this search are the strongest limits to date for $ \textrm{T}\overline{\textrm{T}} $ production, excluding masses below 1.48 TeV for all decays to third generation quarks, and are the strongest limits to date for $ \textrm{B}\overline{\textrm{B}} $ production with B quark decays to tW.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Boosting photovoltaic performance of ternary organic solar cells by integrating a multi-functional guest acceptor

Constructing ternary structure is one of the most effective design strategies to break the efficiency ceiling of traditional binary organic solar cells (OSCs). Here, a new Y-series non-fullerene acceptor (Y-T) featuring 1,3-diethyl-2-thiobarbituric acid (DTBA) end groups is developed as a third component for the classical PM6:Y6 binary system. The champion power conversion efficiency of ternary OSCs is increased from 15.64% to 17.37% via incorporating 10 wt% Y-T, with the simultaneously enhanced open-circuit voltage (Voc) of 0.865 V, a short-circuit current density (Jsc) of 26.90 mA/cm 2 , and a fill factor (FF) of 74.97%. The positive contribution of Y-T in the ternary blend can be ascribed to the improved spectroscopic complementarity and enhanced exciton utilization ratio due to the additional energy transfer process. Moreover, Y-T guest acceptor plays a critical role in adjusting the active layer morphology and facilitating three-dimension phase separation, resulting in a balanced charge transport and enhanced FF of ternary OSCs. Overall, this work provides insight into the molecular design of non-fullerene acceptor and suggest guidelines to rationally select guest component for ternary OSCs.

14 SOLAR ENERGY↗